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DftIntegratorBl_ Struct Reference

#include <integrator.h>

Public Attributes

real(* coor )[3]
 
realweight
 
realatv
 
real dfthri
 
int nsym
 
int shl_bl_cnt
 
int bas_bl_cnt [8]
 
int(* shlblocks )[2]
 
int(* basblocks )[2]
 
int ntypso
 
int london_off
 
int ndmat
 
int nbast
 
union {
   real *   rho
 
   struct {
      real *   a
 
      real *   b
 
   }   ho
 
r
 
union {
   real(*   grad )[3]
 
   struct {
      real(*   a )[3]
 
      real((*   b )[3]
 
   }   rad
 
g
 
real tgrad [3]
 
int curr_point
 
real curr_weight
 
int dogga
 
int needlap
 
int needgb
 

Member Data Documentation

◆ a [1/2]

real* DftIntegratorBl_::a

◆ a [2/2]

real(* DftIntegratorBl_::a)[3]

◆ atv

◆ b [1/2]

real * DftIntegratorBl_::b

◆ b [2/2]

real((* DftIntegratorBl_::b)[3]

◆ bas_bl_cnt

◆ basblocks

◆ coor

◆ curr_point

◆ curr_weight

real DftIntegratorBl_::curr_weight

◆ dfthri

real DftIntegratorBl_::dfthri

Referenced by dft_integrator_bl_new().

◆ dogga

int DftIntegratorBl_::dogga

◆ g

◆ grad

real(* DftIntegratorBl_::grad)[3]

◆ ho

struct { ... } DftIntegratorBl_::ho

◆ london_off

int DftIntegratorBl_::london_off

Referenced by dft_integrator_bl_new().

◆ nbast

◆ ndmat

int DftIntegratorBl_::ndmat

Referenced by dft_integrator_bl_new().

◆ needgb

int DftIntegratorBl_::needgb

Referenced by dft_integrator_bl_new().

◆ needlap

int DftIntegratorBl_::needlap

Referenced by dft_integrator_bl_new().

◆ nsym

◆ ntypso

◆ r

◆ rad

◆ rho

◆ shl_bl_cnt

int DftIntegratorBl_::shl_bl_cnt

◆ shlblocks

◆ tgrad

real DftIntegratorBl_::tgrad[3]

◆ weight


The documentation for this struct was generated from the following file: